(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol

C9H13NO — CID 142016028

IUPAC(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol
SMILES[H]/N=C/C(=C/C(=C)CC)C(=C)O
InChIInChI=1S/C9H13NO/c1-4-7(2)5-9(6-10)8(3)11/h5-6,10-11H,2-4H2,1H3/b9-5-,10-6+
InChIKeyFBIYZVLPZIYAFJ-VTBWALSUSA-N
MW151.21 g/mol
LogP2.60
Rot. Bonds4

About (3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol

(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol (PubChem CID 142016028) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol
PubChem CID142016028
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol
SMILES[H]/N=C/C(=C/C(=C)CC)C(=C)O
InChIInChI=1S/C9H13NO/c1-4-7(2)5-9(6-10)8(3)11/h5-6,10-11H,2-4H2,1H3/b9-5-,10-6+
InChIKeyFBIYZVLPZIYAFJ-VTBWALSUSA-N
XLogP2.60
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4E,6Z)-4-methanimidoylocta-4,6-dien-3-ol
CID 89771739
(4E)-4-methanimidoyl-7-methylocta-4,6-dien-3-ol
CID 89771742
(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 126695369
(4Z,5Z)-4-ethylidene-5-(1-iminopropan-2-ylidene)cyclohexa-2,6-diene-1,2-diol
CID 136594381
(5Z,6E)-6-ethylidene-5-(1-iminopropan-2-ylidene)cyclohexa-1,3-diene-1,2-diol
CID 136594424
(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-ol
CID 138508447
(3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol
CID 142150429
(2E,4E,7E,9Z)-7-ethyl-1-imino-2-methyl-6-propan-2-ylidenedodeca-2,4,7,9,11-pentaen-4-ol
CID 142350881
6-Methanimidoyl-2-prop-2-enylcyclohexa-1,5-dien-1-ol
CID 142596756
Ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene
CID 143193804
ethane;(3Z,5E)-5-methanimidoylhepta-1,3,5-trien-2-ol
CID 143193809
(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol
CID 143341071

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol?
The IUPAC name of (3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol (CID 142016028) is (3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol is [H]/N=C/C(=C/C(=C)CC)C(=C)O.
What is the InChIKey of (3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol?
The InChIKey is FBIYZVLPZIYAFJ-VTBWALSUSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-7(2)5-9(6-10)8(3)11/h5-6,10-11H,2-4H2,1H3/b9-5-,10-6+.
What are the key properties of (3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol?
(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol has a molecular weight of 151.21 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol is sourced from PubChem (CID 142016028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).